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... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > n-arylpiperazine > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > n-arylpiperazine > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > organic aromatic compound > aromatic amine > n-arylpiperazine > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > n-arylpiperazine > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > n-arylpiperazine > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > diazole > imidazoles > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > imidazoles > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > imidazoles > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > imidazoles > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole
... > organochlorine compound > chlorobenzenes > dichlorobenzene > 1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > cis-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine > (2s,4r)-ketoconazole

Preferred term

(2s,4r)-ketoconazole  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C26H28Cl2N4O4

inchi

  • InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1

inchikey

  • XMAYWYJOQHXEEK-ZEQKJWHPSA-N

is_enantiomer_of

mass

  • 531.43048

monoisotopicmass

  • 530.14876

smiles

  • CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

subset

  • 3_STAR

synonym EXACT

  • 1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
  • (2S,4R)-ketoconazole

synonym RELATED

  • 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
  • (2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:47518

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